8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one

C26H33N5O4 — CID 67871097

IUPAC8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESCCNc1cccnc1N1CCNC(CCOc2cccc3c(=O)cc(N4CCOCC4)oc23)C1
InChIInChI=1S/C26H33N5O4/c1-2-27-21-6-4-9-29-26(21)31-11-10-28-19(18-31)8-14-34-23-7-3-5-20-22(32)17-24(35-25(20)23)30-12-15-33-16-13-30/h3-7,9,17,19,27-28H,2,8,10-16,18H2,1H3
InChIKeyXPFIDUBJHQGUPG-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.70
Rot. Bonds8

About 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one

8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one (PubChem CID 67871097) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one
PubChem CID67871097
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESCCNc1cccnc1N1CCNC(CCOc2cccc3c(=O)cc(N4CCOCC4)oc23)C1
InChIInChI=1S/C26H33N5O4/c1-2-27-21-6-4-9-29-26(21)31-11-10-28-19(18-31)8-14-34-23-7-3-5-20-22(32)17-24(35-25(20)23)30-12-15-33-16-13-30/h3-7,9,17,19,27-28H,2,8,10-16,18H2,1H3
InChIKeyXPFIDUBJHQGUPG-UHFFFAOYSA-N
XLogP2.70
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one (CID 67871097) is 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one is CCNc1cccnc1N1CCNC(CCOc2cccc3c(=O)cc(N4CCOCC4)oc23)C1.
What is the InChIKey of 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one?
The InChIKey is XPFIDUBJHQGUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-2-27-21-6-4-9-29-26(21)31-11-10-28-19(18-31)8-14-34-23-7-3-5-20-22(32)17-24(35-25(20)23)30-12-15-33-16-13-30/h3-7,9,17,19,27-28H,2,8,10-16,18H2,1H3.
What are the key properties of 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one?
8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one has a molecular weight of 479.58 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 67871097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).